mermin_energy       :real:0:
 -0.398548033919583E+001
forces              :real:2:3,3
 -0.176513637734965E-001  0.183137601772784E+000 -0.319825151808981E-002
  0.614022657767220E-002 -0.955090293320403E-001 -0.394035230277709E-001
  0.377202598390438E-002 -0.923535862105144E-001  0.402979579634846E-001
gross_atomic_charges:real:1:3
 -0.494398327901862E+000  0.264172212777785E+000  0.230226115124074E+000
